1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine

C9H20N2O2S — CID 135212982

IUPAC1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine
SMILESCCN1NCC(S(=O)(=O)C(C)C)C1C
InChIInChI=1S/C9H20N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyQVDJBCPPENQOAP-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds3

About 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine

1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine (PubChem CID 135212982) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine.

Molecular Properties

Compound Name1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine
PubChem CID135212982
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine
SMILESCCN1NCC(S(=O)(=O)C(C)C)C1C
InChIInChI=1S/C9H20N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyQVDJBCPPENQOAP-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine?
The IUPAC name of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine (CID 135212982) is 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine.
What is the SMILES notation for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine?
The canonical SMILES for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine is CCN1NCC(S(=O)(=O)C(C)C)C1C.
What is the InChIKey of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine?
The InChIKey is QVDJBCPPENQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-5-11-8(4)9(6-10-11)14(12,13)7(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine?
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazolidine is sourced from PubChem (CID 135212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).